SCHEMBL4404067

SCHEMBL4404067

CN1CCN(Cc2ccc(-c3cnc(N)c(-c4nnc(O)n4-c4cccc(F)c4F)n3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
DYRK1A Q13627 1/20 0.38
AXL P30530 1/20 0.38
ATR Q13535 2/20 0.38
ACVR1 Q04771 6/20 0.37
EGFR P00533 2/20 0.37
MAP3K11 Q16584 1/20 0.37
MAP4K4 O95819 1/20 0.37
PARP1 P09874 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
BRAF P15056 1/20 0.36
KCNH2 Q12809 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4412346 0.94 DYRK1A (0.38) CHEK1DYRK1AAXLACVR1MAP3K11
SCHEMBL4405339 0.90 ACVR1 (0.44) ATRACVR1KCNH2JAK2JAK1
SCHEMBL4406024 0.88 CHEK1 (0.53) CHEK1ATREGFRKCNH2JAK2
SCHEMBL11946729 0.85 TNIK (0.44) DYRK1AAXLMAP3K11
SCHEMBL4403795 0.84 MAP4K4 (0.39) CHEK1DYRK1AAXLATRACVR1
SCHEMBL13593346 0.84 CHEK1 (0.42) CHEK1ATREGFRJAK2JAK1
SCHEMBL4404739 0.84 AXL (0.38) CHEK1DYRK1AAXLATRACVR1
SCHEMBL4408447 0.80 MAPK1 (0.37) ATREGFR
SCHEMBL13593345 0.80 JAK2 (0.46) ATRACVR1JAK2JAK1TYK2
SCHEMBL4404768 0.78 ATR (0.45) ATR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CHEK1 110/4885DYRK1A 1036/4885AXL 503/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.